4-(furan-2-ylmethylsulfanyl)-6,7-dimethoxy-2-(trifluoromethyl)quinazoline

C16H13F3N2O3S — CID 21003558

IUPAC4-(furan-2-ylmethylsulfanyl)-6,7-dimethoxy-2-(trifluoromethyl)quinazoline
SMILESCOc1cc2nc(C(F)(F)F)nc(SCc3ccco3)c2cc1OC
InChIInChI=1S/C16H13F3N2O3S/c1-22-12-6-10-11(7-13(12)23-2)20-15(16(17,18)19)21-14(10)25-8-9-4-3-5-24-9/h3-7H,8H2,1-2H3
InChIKeyOXUIYTOUYDIXNO-UHFFFAOYSA-N
MW370.35 g/mol
LogP4.55
Rot. Bonds5

About 4-(furan-2-ylmethylsulfanyl)-6,7-dimethoxy-2-(trifluoromethyl)quinazoline

4-(furan-2-ylmethylsulfanyl)-6,7-dimethoxy-2-(trifluoromethyl)quinazoline (PubChem CID 21003558) has the molecular formula C16H13F3N2O3S and a molecular weight of 370.35 g/mol. Its IUPAC name is 4-(furan-2-ylmethylsulfanyl)-6,7-dimethoxy-2-(trifluoromethyl)quinazoline.

Molecular Properties

Compound Name4-(furan-2-ylmethylsulfanyl)-6,7-dimethoxy-2-(trifluoromethyl)quinazoline
PubChem CID21003558
Molecular FormulaC16H13F3N2O3S
Molecular Weight370.35 g/mol
Exact Mass370.06
IUPAC Name4-(furan-2-ylmethylsulfanyl)-6,7-dimethoxy-2-(trifluoromethyl)quinazoline
SMILESCOc1cc2nc(C(F)(F)F)nc(SCc3ccco3)c2cc1OC
InChIInChI=1S/C16H13F3N2O3S/c1-22-12-6-10-11(7-13(12)23-2)20-15(16(17,18)19)21-14(10)25-8-9-4-3-5-24-9/h3-7H,8H2,1-2H3
InChIKeyOXUIYTOUYDIXNO-UHFFFAOYSA-N
XLogP4.55
TPSA57.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.35
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-(furan-2-ylmethylsulfanyl)-6,7-dimethoxy-2-(trifluoromethyl)quinazoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-[6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-yl]sulfanylacetate
CID 21003552
2-[6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-yl]sulfanyl-1,3-benzoxazole
CID 21003525
4-chloro-6,7-dimethoxy-2-(trifluoromethyl)quinazoline
CID 22693550
2-[6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-yl]sulfanylpropanoic acid
CID 21003561
2-[2-chloro-4-(furan-2-ylmethylamino)-7-methoxyquinazolin-6-yl]oxyethanol
CID 171562096
2-chloro-6-ethoxy-N-(furan-2-ylmethyl)-7-methoxyquinazolin-4-amine
CID 171562089
N-benzyl-6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-amine
CID 21003392
2-[[6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-yl]amino]-2-methylpropan-1-ol
CID 110433148
N-tert-butyl-6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-amine
CID 21003434
4-(furan-2-ylmethylsulfanyl)-N,6-dimethylthieno[2,3-d]pyrimidin-2-amine
CID 103334041
2-[7-methoxy-2-(trifluoromethyl)quinazolin-4-yl]sulfanylacetic acid
CID 21003786
2-tert-butyl-6-(furan-2-ylmethylsulfanyl)-N,5-dimethylpyrimidin-4-amine
CID 80991282

Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-ylmethylsulfanyl)-6,7-dimethoxy-2-(trifluoromethyl)quinazoline?
The IUPAC name of 4-(furan-2-ylmethylsulfanyl)-6,7-dimethoxy-2-(trifluoromethyl)quinazoline (CID 21003558) is 4-(furan-2-ylmethylsulfanyl)-6,7-dimethoxy-2-(trifluoromethyl)quinazoline.
What is the SMILES notation for 4-(furan-2-ylmethylsulfanyl)-6,7-dimethoxy-2-(trifluoromethyl)quinazoline?
The canonical SMILES for 4-(furan-2-ylmethylsulfanyl)-6,7-dimethoxy-2-(trifluoromethyl)quinazoline is COc1cc2nc(C(F)(F)F)nc(SCc3ccco3)c2cc1OC.
What is the InChIKey of 4-(furan-2-ylmethylsulfanyl)-6,7-dimethoxy-2-(trifluoromethyl)quinazoline?
The InChIKey is OXUIYTOUYDIXNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3N2O3S/c1-22-12-6-10-11(7-13(12)23-2)20-15(16(17,18)19)21-14(10)25-8-9-4-3-5-24-9/h3-7H,8H2,1-2H3.
What are the key properties of 4-(furan-2-ylmethylsulfanyl)-6,7-dimethoxy-2-(trifluoromethyl)quinazoline?
4-(furan-2-ylmethylsulfanyl)-6,7-dimethoxy-2-(trifluoromethyl)quinazoline has a molecular weight of 370.35 g/mol, XLogP of 4.55, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-ylmethylsulfanyl)-6,7-dimethoxy-2-(trifluoromethyl)quinazoline is sourced from PubChem (CID 21003558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).